A Computational Facility for Reacting Flow Science

Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry

Advanced Methods for Electronic Structure

Advancing Multi-Referance Methods in Electronic Structure Theory

New Coupled-Cluster Methods for Molecular Potential Energy Surfaces

Accurate Properties for Open-Shell States of Large Molecules

Explicitly Correlated Coupled Cluster and Bruecker Methods for Computations of Properties of Chemical Accuracy for Open Shell Systems

Linear Scaling Electronic Structure Methods with Periodic Boundary Conditions

Advanced Software for the Calculation of Thermochemistry, Kinetics and Dynamics

Theoretical Chemical Dynamics Studies of Elementary Combustion Reactions

Reliable Electronic Structure Calculations for Heavy Element Chemistry: Molecules Containing Actinides, Lanthanides, and Transition Metals